#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1l7b s GLU 2 N 0.00 3.42 0.00 2.12 -1.05 -1.26 -4.96 118.70 116.97 1l7b s GLU 2 Ca 0.00 -0.32 0.00 0.00 -0.15 0.00 0.00 54.97 54.50 1l7b s GLU 2 Cb 0.00 -3.02 0.00 0.00 -0.44 0.00 0.00 34.13 30.67 1l7b s GLU 2 CO 0.00 0.58 0.00 1.63 0.95 0.00 0.00 175.26 178.42 1l7b n LYS 3 N 2.56 2.60 -0.39 -4.83 5.02 -1.26 -4.84 118.16 117.03 1l7b n LYS 3 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1l7b n LYS 3 Cb 0.53 -0.72 0.00 0.00 -0.02 0.00 0.00 35.03 34.82 1l7b n LYS 3 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1l7b n GLY 4 N 1.48 0.92 2.23 0.72 0.00 -1.26 -4.97 105.19 104.32 1l7b n GLY 4 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1l7b n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1l7b n GLY 5 N 0.00 3.73 0.00 -0.02 0.00 -1.26 -3.80 105.19 103.83 1l7b n GLY 5 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 1l7b n GLY 5 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1l7b n GLU 6 N 1.96 3.80 0.00 1.61 1.02 -1.26 -4.74 120.64 123.03 1l7b n GLU 6 Ca 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 1l7b n GLU 6 Cb 0.69 -0.61 0.00 0.00 -0.02 0.00 0.00 31.44 31.50 1l7b n GLU 6 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1l7b n ALA 7 N -0.98 0.00 -2.37 0.62 0.00 -1.25 -4.50 120.51 112.04 1l7b n ALA 7 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 1l7b n ALA 7 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 1l7b n ALA 7 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1l7b n LEU 8 N 0.00 1.54 -4.92 0.00 -0.00 -1.26 -4.92 117.00 107.43 1l7b n LEU 8 Ca 0.00 -2.59 -0.29 0.00 -0.00 0.00 0.00 56.01 53.13 1l7b n LEU 8 Cb 0.00 -0.04 0.13 0.00 -0.00 0.00 0.00 43.42 43.51 1l7b n LEU 8 CO 0.00 0.80 0.81 -0.75 -0.00 0.00 0.00 177.39 178.25 1l7b s LYS 9 N -1.24 1.34 0.00 1.47 2.20 -1.26 -4.01 119.74 118.24 1l7b s LYS 9 Ca 0.34 -0.21 0.00 0.00 -0.36 0.00 0.00 55.97 55.74 1l7b s LYS 9 Cb 0.38 -1.93 0.00 0.00 -1.51 0.00 0.00 37.83 34.77 1l7b s LYS 9 CO -0.13 -1.95 0.00 0.41 -0.36 0.00 0.00 175.35 173.32 1l7b n GLY 10 N -3.48 2.14 3.74 5.54 0.00 -1.26 -4.83 105.19 107.03 1l7b n GLY 10 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1l7b n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1l7b s LEU 11 N 0.00 2.37 -0.01 0.99 1.43 -1.26 -5.01 118.68 117.20 1l7b s LEU 11 Ca 0.00 -1.61 0.04 0.00 -1.03 0.00 0.00 54.13 51.53 1l7b s LEU 11 Cb 0.00 -0.74 -0.01 0.00 0.03 0.00 0.00 46.19 45.46 1l7b s LEU 11 CO 0.00 -0.79 -0.14 -0.89 0.23 0.00 0.00 176.35 174.75 1l7b s THR 12 N -2.86 1.12 -0.12 5.49 2.01 -1.26 -1.73 115.64 118.29 1l7b s THR 12 Ca 0.10 -0.61 0.02 0.00 0.31 0.00 0.00 61.69 61.52 1l7b s THR 12 Cb 0.03 -0.93 0.01 0.00 0.01 0.00 0.00 72.50 71.62 1l7b s THR 12 CO 0.05 0.32 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.75 1l7b s PHE 13 N -0.33 2.38 0.23 4.92 0.08 -0.22 -4.52 117.98 120.52 1l7b s PHE 13 Ca 0.05 -1.16 0.07 0.00 0.12 0.00 0.00 56.93 56.02 1l7b s PHE 13 Cb -0.05 -1.65 -0.05 0.00 -0.57 0.00 0.00 43.02 40.70 1l7b s PHE 13 CO -0.01 -0.54 -0.11 0.14 -0.10 0.00 0.00 175.22 174.60 1l7b s VAL 14 N 0.85 1.71 -0.05 -0.44 -7.23 -0.75 -2.50 120.40 111.99 1l7b s VAL 14 Ca -0.08 -2.19 0.05 0.00 -1.81 0.00 0.00 61.98 57.96 1l7b s VAL 14 Cb -0.15 -2.20 -0.01 0.00 0.56 0.00 0.00 36.38 34.58 1l7b s VAL 14 CO -0.01 -0.48 -0.21 -0.63 -0.31 0.00 0.00 175.10 173.46 1l7b s ILE 15 N -2.98 1.71 -0.84 -0.62 1.09 -1.09 -1.41 121.20 117.06 1l7b s ILE 15 Ca 0.25 -0.88 -0.26 0.00 -1.10 0.00 0.00 60.65 58.67 1l7b s ILE 15 Cb 0.01 -1.46 -0.15 0.00 -1.06 0.00 0.00 42.46 39.80 1l7b s ILE 15 CO 0.09 0.48 2.36 -0.89 -0.10 0.00 0.00 174.94 176.88 1l7b s THR 16 N -0.07 3.02 0.00 2.92 2.01 -1.26 -4.33 115.64 117.92 1l7b s THR 16 Ca -0.03 -0.02 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1l7b s THR 16 Cb -0.12 -3.20 0.00 0.00 0.01 0.00 0.00 72.50 69.19 1l7b s THR 16 CO 0.03 -0.04 0.00 0.61 -0.69 0.00 0.00 174.62 174.53 1l7b n GLY 17 N 6.71 -0.28 3.11 4.40 0.00 -1.04 -3.74 105.19 114.36 1l7b n GLY 17 Ca 0.46 0.03 0.01 0.00 0.00 0.00 0.00 46.02 46.51 1l7b n GLY 17 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1l7b s GLU 18 N 0.00 0.59 1.09 1.61 2.12 -1.26 -4.97 118.70 117.89 1l7b s GLU 18 Ca 0.00 0.28 -0.15 0.00 0.36 0.00 0.00 54.97 55.47 1l7b s GLU 18 Cb 0.00 0.11 0.17 0.00 0.26 0.00 0.00 34.13 34.66 1l7b s GLU 18 CO 0.00 -1.08 0.56 1.28 -0.54 0.00 0.00 175.26 175.48 1l7b n LEU 19 N 5.18 -1.01 0.00 2.70 4.77 -1.25 -4.53 117.00 122.86 1l7b n LEU 19 Ca 0.06 -0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.10 1l7b n LEU 19 Cb 0.54 -1.17 0.39 0.00 -2.33 0.00 0.00 43.42 40.85 1l7b n LEU 19 CO -0.04 -3.14 0.60 -1.20 -1.33 0.00 0.00 177.39 172.28 1l7b n SER 20 N -3.08 0.00 -4.73 -1.43 7.64 -1.26 -4.69 113.62 106.07 1l7b n SER 20 Ca 0.04 -0.50 -0.24 0.00 1.01 0.00 0.00 58.87 59.18 1l7b n SER 20 Cb 0.57 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.70 1l7b n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1l7b s ARG 21 N -2.00 2.29 -0.44 1.43 1.04 -1.26 -4.96 118.95 115.04 1l7b s ARG 21 Ca 0.20 -1.69 -0.27 0.00 -1.04 0.00 0.00 55.73 52.94 1l7b s ARG 21 Cb 0.09 -2.08 -0.06 0.00 -2.04 0.00 0.00 34.95 30.86 1l7b s ARG 21 CO 0.15 0.01 2.31 -1.25 -0.04 0.00 0.00 175.30 176.48 1l7b s PRO 22 N -3.87 2.38 0.23 3.89 0.04 -1.26 -4.78 135.00 131.63 1l7b s PRO 22 Ca 0.39 1.46 0.24 0.00 0.04 0.00 0.00 61.00 63.14 1l7b s PRO 22 Cb 0.00 -4.52 0.46 0.00 0.04 0.00 0.00 34.50 30.49 1l7b s PRO 22 CO 0.22 -2.97 1.51 0.07 0.04 0.00 0.00 177.00 175.88 1l7b h ARG 23 N 18.12 0.00 0.23 4.56 -0.00 -1.96 -3.17 114.38 132.16 1l7b h ARG 23 Ca -0.28 0.00 -0.33 0.00 -0.00 0.00 0.00 59.98 59.37 1l7b h ARG 23 Cb 1.25 0.00 0.03 0.00 -0.00 0.00 0.00 29.97 31.25 1l7b h ARG 23 CO 1.12 0.00 -1.51 0.93 -0.00 0.00 0.00 179.97 180.51 1l7b h GLU 24 N 0.00 0.49 0.62 0.08 5.08 -1.99 -2.73 114.58 116.13 1l7b h GLU 24 Ca 0.00 -0.84 -0.03 0.00 -1.00 0.00 0.00 59.36 57.49 1l7b h GLU 24 Cb 0.83 0.31 0.01 0.00 0.50 0.00 0.00 28.75 30.40 1l7b h GLU 24 CO 0.00 1.40 -0.30 1.49 -1.00 0.00 0.00 179.01 180.60 1l7b h GLU 25 N 0.10 -0.81 -0.56 2.33 4.57 -1.96 -2.83 114.58 115.42 1l7b h GLU 25 Ca -0.28 0.05 0.04 0.00 -1.18 0.00 0.00 59.36 58.00 1l7b h GLU 25 Cb 2.12 0.18 -0.03 0.00 -0.16 0.00 0.00 28.75 30.86 1l7b h GLU 25 CO 0.24 -0.49 0.37 -0.24 -1.18 0.00 0.00 179.01 177.71 1l7b h VAL 26 N -1.02 1.03 -0.51 0.32 3.04 -1.70 -2.14 116.25 115.28 1l7b h VAL 26 Ca -0.09 -0.20 0.05 0.00 -1.01 0.00 0.00 66.70 65.46 1l7b h VAL 26 Cb 0.69 0.39 -0.05 0.00 -2.01 0.00 0.00 31.29 30.31 1l7b h VAL 26 CO 0.14 0.11 0.23 0.11 -1.01 0.00 0.00 177.57 177.15 1l7b h LYS 27 N 0.59 0.43 -0.41 4.17 1.79 -1.30 0.77 116.57 122.61 1l7b h LYS 27 Ca 0.23 -0.03 -0.14 0.00 -2.18 0.00 0.00 60.65 58.53 1l7b h LYS 27 Cb 0.18 -0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1l7b h LYS 27 CO -0.06 0.29 -0.30 0.00 -1.08 0.00 0.00 179.45 178.29 1l7b h ALA 28 N 1.30 0.68 -0.02 3.86 0.00 -1.16 0.93 119.26 124.85 1l7b h ALA 28 Ca 0.23 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.58 1l7b h ALA 28 Cb 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1l7b h ALA 28 CO -0.19 0.67 -0.66 -0.07 0.00 0.00 0.00 179.25 178.99 1l7b h LEU 29 N 0.76 0.10 0.04 0.00 4.07 -0.97 -1.73 115.31 117.59 1l7b h LEU 29 Ca 0.08 -0.07 -0.07 0.00 0.08 0.00 0.00 57.88 57.91 1l7b h LEU 29 Cb 0.88 -0.03 0.00 0.00 1.08 0.00 0.00 40.66 42.59 1l7b h LEU 29 CO 0.08 0.74 -0.30 0.25 -1.08 0.00 0.00 178.44 178.12 1l7b h LEU 30 N 0.06 0.14 -0.45 1.67 7.12 0.67 -3.19 115.31 121.33 1l7b h LEU 30 Ca -0.01 -0.97 -0.01 0.00 0.13 0.00 0.00 57.88 57.02 1l7b h LEU 30 Cb 1.18 -0.04 -0.02 0.00 -0.53 0.00 0.00 40.66 41.24 1l7b h LEU 30 CO 0.09 1.14 0.24 -0.09 -0.13 0.00 0.00 178.44 179.69 1l7b h ARG 31 N -0.81 0.64 -0.82 1.25 2.43 -0.88 0.23 114.38 116.41 1l7b h ARG 31 Ca -0.06 -0.08 0.24 0.00 -0.81 0.00 0.00 59.98 59.27 1l7b h ARG 31 Cb 1.21 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 30.60 1l7b h ARG 31 CO 0.03 0.51 0.62 -0.09 -1.51 0.00 0.00 179.97 179.53 1l7b h ARG 32 N 0.59 0.00 -0.93 0.20 2.43 -1.43 0.83 114.38 116.07 1l7b h ARG 32 Ca 0.16 0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.16 1l7b h ARG 32 Cb 0.07 0.00 -0.10 0.00 -0.42 0.00 0.00 29.97 29.52 1l7b h ARG 32 CO -0.02 0.00 0.21 -0.11 -1.51 0.00 0.00 179.97 178.54 1l7b n LEU 33 N -4.19 4.34 0.00 3.80 7.94 0.06 -4.99 117.00 123.96 1l7b n LEU 33 Ca 0.17 -2.25 0.00 0.00 -1.11 0.00 0.00 56.01 52.82 1l7b n LEU 33 Cb 0.91 -0.64 0.00 0.00 0.53 0.00 0.00 43.42 44.22 1l7b n LEU 33 CO 0.37 0.66 0.00 0.61 -1.11 0.00 0.00 177.39 177.92 1l7b n GLY 34 N -0.10 1.67 0.00 -3.96 0.00 0.29 -4.23 105.19 98.86 1l7b n GLY 34 Ca 0.24 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1l7b n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1l7b n ALA 35 N 6.44 -0.82 -0.93 4.61 0.00 -1.26 -4.37 120.51 124.19 1l7b n ALA 35 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1l7b n ALA 35 Cb 0.00 0.00 0.13 0.00 0.00 0.00 0.00 19.45 19.58 1l7b n ALA 35 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1l7b n LYS 36 N 1.17 -0.10 -4.18 0.00 5.02 -0.70 -4.35 118.16 115.02 1l7b n LYS 36 Ca 0.00 0.04 -0.13 0.00 -2.02 0.00 0.00 58.31 56.20 1l7b n LYS 36 Cb 0.00 -2.17 -0.10 0.00 -0.02 0.00 0.00 35.03 32.73 1l7b n LYS 36 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1l7b s VAL 37 N -2.30 0.87 0.38 -0.18 -7.23 -1.26 -1.06 120.40 109.62 1l7b s VAL 37 Ca 0.66 -1.81 -0.13 0.00 -1.81 0.00 0.00 61.98 58.89 1l7b s VAL 37 Cb -0.26 -1.54 0.05 0.00 0.56 0.00 0.00 36.38 35.19 1l7b s VAL 37 CO 0.58 -0.71 0.74 -0.89 -0.31 0.00 0.00 175.10 174.52 1l7b s THR 38 N -3.01 0.00 0.00 5.32 2.01 -1.04 -4.94 115.64 113.98 1l7b s THR 38 Ca 0.09 -1.10 0.00 0.00 0.31 0.00 0.00 61.69 61.00 1l7b s THR 38 Cb 0.01 -2.87 0.00 0.00 0.01 0.00 0.00 72.50 69.65 1l7b s THR 38 CO -0.02 0.00 0.15 -0.90 -0.69 0.00 0.00 174.62 173.16 1l7b n ASP 39 N -1.45 0.00 -4.54 3.53 5.75 -1.26 -2.67 116.55 115.91 1l7b n ASP 39 Ca -0.07 -1.00 -0.25 0.00 -0.01 0.00 0.00 54.79 53.46 1l7b n ASP 39 Cb 0.60 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.59 1l7b n ASP 39 CO 0.00 0.00 0.00 -0.44 -0.11 0.00 0.00 177.20 176.65 1l7b s SER 40 N 0.00 3.52 -0.03 -1.12 0.01 -1.26 -2.50 113.70 112.31 1l7b s SER 40 Ca 0.00 -1.26 0.01 0.00 1.31 0.00 0.00 55.95 56.01 1l7b s SER 40 Cb 0.00 -0.31 0.01 0.00 0.21 0.00 0.00 66.02 65.93 1l7b s SER 40 CO 0.00 -0.33 -0.06 0.68 0.41 0.00 0.00 173.24 173.94 1l7b s VAL 41 N -2.76 0.58 0.00 3.43 -7.23 -1.26 -4.79 120.40 108.37 1l7b s VAL 41 Ca 0.33 -0.19 0.00 0.00 -1.81 0.00 0.00 61.98 60.31 1l7b s VAL 41 Cb 0.05 -0.57 0.00 0.00 0.56 0.00 0.00 36.38 36.43 1l7b s VAL 41 CO 0.16 0.22 0.00 -1.20 -0.31 0.00 0.00 175.10 173.97 1l7b n SER 42 N 3.71 0.00 0.00 4.85 7.64 -1.26 -5.04 113.62 123.52 1l7b n SER 42 Ca -0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.66 1l7b n SER 42 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1l7b n SER 42 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1l7b n ARG 43 N -0.29 0.00 0.31 1.43 1.74 -1.26 -4.94 116.66 113.65 1l7b n ARG 43 Ca 0.00 0.00 0.18 0.00 -0.77 0.00 0.00 57.85 57.26 1l7b n ARG 43 Cb 0.00 0.00 1.03 0.00 -1.02 0.00 0.00 32.46 32.47 1l7b n ARG 43 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1l7b h LYS 44 N 0.00 0.00 -7.53 5.56 1.57 -1.96 -3.42 116.57 110.78 1l7b h LYS 44 Ca 0.00 0.00 -0.46 0.00 -1.87 0.00 0.00 60.65 58.32 1l7b h LYS 44 Cb 0.00 0.00 0.13 0.00 0.08 0.00 0.00 32.23 32.44 1l7b h LYS 44 CO 0.00 0.00 0.29 -0.08 -0.57 0.00 0.00 179.45 179.09 1l7b s THR 45 N -4.44 2.02 0.00 -0.16 -1.32 -1.26 -4.94 115.64 105.54 1l7b s THR 45 Ca -0.05 -0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.16 1l7b s THR 45 Cb 0.14 -2.74 0.00 0.00 -1.51 0.00 0.00 72.50 68.39 1l7b s THR 45 CO 0.50 0.00 0.00 -1.54 -2.21 0.00 0.00 174.62 171.37 1l7b n SER 46 N -3.41 0.00 -4.31 8.08 3.41 -1.26 -4.92 113.62 111.20 1l7b n SER 46 Ca 0.16 0.00 -0.32 0.00 -0.26 0.00 0.00 58.87 58.45 1l7b n SER 46 Cb 0.60 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.39 1l7b n SER 46 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1l7b s TYR 47 N 0.00 2.69 0.02 7.33 2.02 -1.23 -3.60 117.35 124.58 1l7b s TYR 47 Ca 0.00 -0.77 0.08 0.00 -0.37 0.00 0.00 57.07 56.01 1l7b s TYR 47 Cb 0.00 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.77 1l7b s TYR 47 CO 0.00 -0.26 -0.24 -1.17 -1.57 0.00 0.00 175.55 172.30 1l7b s LEU 48 N 0.25 2.25 -0.49 -1.29 0.20 -1.26 -1.81 118.68 116.53 1l7b s LEU 48 Ca -0.12 -0.51 -0.25 0.00 0.69 0.00 0.00 54.13 53.94 1l7b s LEU 48 Cb -0.16 -1.35 0.03 0.00 -0.43 0.00 0.00 46.19 44.28 1l7b s LEU 48 CO 0.06 0.28 0.91 0.54 -0.29 0.00 0.00 176.35 177.85 1l7b s VAL 49 N -0.78 4.47 -0.88 1.68 0.11 -0.50 -2.05 120.40 122.45 1l7b s VAL 49 Ca 0.12 0.54 -0.24 0.00 -2.93 0.00 0.00 61.98 59.47 1l7b s VAL 49 Cb -0.10 -4.45 0.05 0.00 -1.53 0.00 0.00 36.38 30.35 1l7b s VAL 49 CO 0.02 -0.91 1.31 -0.69 -3.33 0.00 0.00 175.10 171.49 1l7b s VAL 50 N 3.75 3.98 -0.04 2.04 1.01 -0.98 -4.70 120.40 125.46 1l7b s VAL 50 Ca 0.34 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.89 1l7b s VAL 50 Cb -0.11 -4.94 -0.01 0.00 0.00 0.00 0.00 36.38 31.31 1l7b s VAL 50 CO 0.23 -1.82 -0.05 0.61 0.00 0.00 0.00 175.10 174.07 1l7b n GLY 51 N 6.07 -0.62 0.00 4.51 0.00 -1.26 -1.65 105.19 112.23 1l7b n GLY 51 Ca 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1l7b n GLY 51 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1l7b n GLU 52 N -2.88 2.65 0.03 1.61 1.02 -1.26 -4.94 120.64 116.87 1l7b n GLU 52 Ca -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 1l7b n GLU 52 Cb 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.50 1l7b n GLU 52 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1l7b n ASN 53 N 0.00 0.43 -0.27 1.62 3.02 -1.26 -4.75 115.26 114.05 1l7b n ASN 53 Ca 0.00 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.64 1l7b n ASN 53 Cb 0.00 -0.10 0.00 0.00 -0.61 0.00 0.00 39.78 39.07 1l7b n ASN 53 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 1l7b n PRO 54 N -2.96 0.54 -1.47 3.52 -0.04 -1.26 -4.85 135.00 128.48 1l7b n PRO 54 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 1l7b n PRO 54 Cb 0.00 -1.15 0.09 0.00 -0.04 0.00 0.00 33.50 32.40 1l7b n PRO 54 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1l7b s GLY 55 N -0.92 2.25 0.00 0.55 0.00 -1.26 -4.71 107.32 103.23 1l7b s GLY 55 Ca 0.00 0.77 0.04 0.00 0.00 0.00 0.00 44.72 45.53 1l7b s GLY 55 CO 0.00 1.17 0.98 1.44 0.00 0.00 0.00 173.10 176.68 1l7b n SER 56 N -2.73 0.00 0.29 1.64 7.64 -1.26 -2.71 113.62 116.48 1l7b n SER 56 Ca 0.12 0.26 0.13 0.00 1.01 0.00 0.00 58.87 60.39 1l7b n SER 56 Cb 0.51 -0.31 0.67 0.00 -1.01 0.00 0.00 64.21 64.06 1l7b n SER 56 CO 0.00 0.00 0.00 0.07 -3.01 0.00 0.00 175.04 172.10 1l7b h LYS 57 N 0.00 0.00 -0.71 1.43 2.10 -1.88 -2.24 116.57 115.27 1l7b h LYS 57 Ca 0.00 0.00 0.21 0.00 -2.00 0.00 0.00 60.65 58.86 1l7b h LYS 57 Cb 0.04 0.00 -0.03 0.00 -0.90 0.00 0.00 32.23 31.34 1l7b h LYS 57 CO 0.00 0.00 0.96 1.25 -2.00 0.00 0.00 179.45 179.66 1l7b h LEU 58 N 0.00 0.00 0.27 7.07 6.46 -1.84 1.95 115.31 129.22 1l7b h LEU 58 Ca 0.00 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.75 1l7b h LEU 58 Cb 0.70 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.63 1l7b h LEU 58 CO 0.00 0.00 -0.13 -0.08 -0.62 0.00 0.00 178.44 177.61 1l7b h GLU 59 N 0.00 -0.34 0.00 1.25 4.57 -1.73 -2.65 114.58 115.67 1l7b h GLU 59 Ca 0.34 0.02 -0.21 0.00 -1.18 0.00 0.00 59.36 58.33 1l7b h GLU 59 Cb 2.25 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 30.89 1l7b h GLU 59 CO -0.00 -0.23 -1.17 -0.22 -1.18 0.00 0.00 179.01 176.21 1l7b h LYS 60 N -0.78 0.00 -0.38 1.92 1.63 -1.31 -2.86 116.57 114.79 1l7b h LYS 60 Ca -0.04 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.68 1l7b h LYS 60 Cb 0.27 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.89 1l7b h LYS 60 CO 0.06 0.71 -0.10 0.00 -3.45 0.00 0.00 179.45 176.67 1l7b h ALA 61 N 1.11 1.11 -0.07 5.00 0.00 0.28 -2.59 119.26 124.11 1l7b h ALA 61 Ca -0.10 -0.29 -0.22 0.00 0.00 0.00 0.00 54.91 54.30 1l7b h ALA 61 Cb 1.76 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 19.41 1l7b h ALA 61 CO 0.10 0.56 -0.81 -0.09 0.00 0.00 0.00 179.25 179.01 1l7b h ARG 62 N 0.61 0.68 -3.07 0.00 9.65 -1.55 -3.45 114.38 117.24 1l7b h ARG 62 Ca 0.11 -0.63 0.00 0.00 -1.10 0.00 0.00 59.98 58.36 1l7b h ARG 62 Cb 0.53 0.16 0.00 0.00 -1.39 0.00 0.00 29.97 29.27 1l7b h ARG 62 CO 0.03 1.23 0.00 0.00 2.80 0.00 0.00 179.97 184.04 1l7b n ALA 63 N -2.61 -1.00 -0.83 2.80 0.00 -0.98 -4.69 120.51 113.20 1l7b n ALA 63 Ca -0.09 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.23 1l7b n ALA 63 Cb 0.76 -0.42 -0.01 0.00 0.00 0.00 0.00 19.45 19.78 1l7b n ALA 63 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1l7b n LEU 64 N 1.71 5.96 0.00 0.00 7.94 -1.26 -4.10 117.00 127.25 1l7b n LEU 64 Ca 0.00 -3.06 0.00 0.00 -1.11 0.00 0.00 56.01 51.84 1l7b n LEU 64 Cb 0.00 -1.14 0.00 0.00 0.53 0.00 0.00 43.42 42.81 1l7b n LEU 64 CO 0.00 1.25 0.00 0.61 -1.11 0.00 0.00 177.39 178.14 1l7b n GLY 65 N 1.02 0.75 3.76 -3.96 0.00 -1.26 -5.13 105.19 100.38 1l7b n GLY 65 Ca 0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 1l7b n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1l7b s VAL 66 N 0.00 4.03 -0.33 1.61 1.01 -1.26 -5.00 120.40 120.46 1l7b s VAL 66 Ca 0.00 1.96 -0.29 0.00 0.00 0.00 0.00 61.98 63.65 1l7b s VAL 66 Cb 0.00 -4.21 0.02 0.00 0.00 0.00 0.00 36.38 32.19 1l7b s VAL 66 CO 0.00 0.40 1.13 -2.16 0.00 0.00 0.00 175.10 174.46 1l7b s PRO 67 N -1.43 4.01 -0.13 2.72 0.04 -1.24 -4.69 135.00 134.28 1l7b s PRO 67 Ca 0.44 1.06 -0.06 0.00 0.04 0.00 0.00 61.00 62.48 1l7b s PRO 67 Cb -0.25 -3.78 -0.04 0.00 0.04 0.00 0.00 34.50 30.47 1l7b s PRO 67 CO 0.31 -0.99 0.08 0.95 0.04 0.00 0.00 177.00 177.39 1l7b s THR 68 N 3.87 5.00 -0.22 1.26 -4.23 -1.26 -3.58 115.64 116.48 1l7b s THR 68 Ca 0.48 0.02 -0.07 0.00 -1.18 0.00 0.00 61.69 60.94 1l7b s THR 68 Cb -0.13 -3.18 -0.04 0.00 1.34 0.00 0.00 72.50 70.50 1l7b s THR 68 CO 0.18 0.56 0.07 -0.22 -0.54 0.00 0.00 174.62 174.68 1l7b s LEU 69 N -0.55 3.62 0.44 4.79 2.96 -0.87 -4.85 118.68 124.22 1l7b s LEU 69 Ca 0.11 -0.07 -0.25 0.00 -0.22 0.00 0.00 54.13 53.70 1l7b s LEU 69 Cb -0.12 -1.94 -0.08 0.00 0.50 0.00 0.00 46.19 44.55 1l7b s LEU 69 CO 0.02 0.07 1.31 -0.89 -1.32 0.00 0.00 176.35 175.53 1l7b s THR 70 N 1.02 2.54 0.32 3.68 2.01 -1.26 -2.33 115.64 121.61 1l7b s THR 70 Ca 0.04 0.46 0.37 0.00 0.31 0.00 0.00 61.69 62.87 1l7b s THR 70 Cb -0.14 -3.26 0.41 0.00 0.01 0.00 0.00 72.50 69.52 1l7b s THR 70 CO 0.03 0.05 2.13 -0.08 -0.69 0.00 0.00 174.62 176.06 1l7b h GLU 71 N 2.36 0.00 -0.40 4.92 4.81 -1.59 -3.02 114.58 121.65 1l7b h GLU 71 Ca -0.50 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 58.81 1l7b h GLU 71 Cb 1.26 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.55 1l7b h GLU 71 CO 0.61 0.01 -0.30 1.49 -0.73 0.00 0.00 179.01 180.09 1l7b h GLU 72 N 0.00 -0.22 -0.16 1.92 4.81 -1.90 0.51 114.58 119.55 1l7b h GLU 72 Ca -0.00 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.26 1l7b h GLU 72 Cb 0.32 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 1l7b h GLU 72 CO 0.00 -0.15 0.11 0.93 -0.73 0.00 0.00 179.01 179.17 1l7b h GLU 73 N -0.23 0.17 0.29 1.92 4.39 -1.92 -2.27 114.58 116.93 1l7b h GLU 73 Ca 0.18 -0.01 -0.01 0.00 0.34 0.00 0.00 59.36 59.86 1l7b h GLU 73 Cb 0.52 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.12 1l7b h GLU 73 CO -0.53 0.11 -0.20 1.25 -1.16 0.00 0.00 179.01 178.48 1l7b h LEU 74 N 0.17 -0.51 -1.21 1.33 7.12 -0.12 -2.20 115.31 119.90 1l7b h LEU 74 Ca 0.06 0.04 0.01 0.00 0.13 0.00 0.00 57.88 58.12 1l7b h LEU 74 Cb 0.04 0.16 -0.04 0.00 -0.53 0.00 0.00 40.66 40.29 1l7b h LEU 74 CO -0.01 -0.31 0.54 1.88 -0.13 0.00 0.00 178.44 180.40 1l7b h TYR 75 N -0.48 1.01 0.00 1.25 0.05 -0.79 -2.40 116.97 115.60 1l7b h TYR 75 Ca -0.02 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.78 1l7b h TYR 75 Cb 0.41 -0.34 0.00 0.00 1.01 0.00 0.00 36.73 37.81 1l7b h TYR 75 CO -0.11 0.62 0.00 -2.13 -1.05 0.00 0.00 178.16 175.49 1l7b n ARG 76 N -4.42 0.00 0.09 4.88 0.63 -0.87 0.58 116.66 117.54 1l7b n ARG 76 Ca 0.09 0.07 0.19 0.00 -0.92 0.00 0.00 57.85 57.29 1l7b n ARG 76 Cb 0.05 -1.00 0.59 0.00 0.45 0.00 0.00 32.46 32.54 1l7b n ARG 76 CO 0.00 0.00 0.00 -0.07 -2.51 0.00 0.00 177.63 175.05 1l7b h LEU 77 N 0.00 0.00 0.00 6.15 -0.00 -1.51 -1.29 115.31 118.66 1l7b h LEU 77 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1l7b h LEU 77 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.66 1l7b h LEU 77 CO 0.00 0.00 -0.00 0.25 -0.00 0.00 0.00 178.44 178.69 1l7b h LEU 78 N 0.00 -0.00 -1.21 1.67 5.85 -1.18 -1.83 115.31 118.61 1l7b h LEU 78 Ca 0.21 -0.08 0.25 0.00 0.84 0.00 0.00 57.88 59.10 1l7b h LEU 78 Cb 1.61 0.00 -0.10 0.00 0.37 0.00 0.00 40.66 42.53 1l7b h LEU 78 CO -0.00 0.54 0.64 -0.08 -0.34 0.00 0.00 178.44 179.19 1l7b h GLU 79 N -1.00 0.49 0.05 1.25 4.81 0.12 0.31 114.58 120.61 1l7b h GLU 79 Ca -0.00 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1l7b h GLU 79 Cb 0.08 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.35 1l7b h GLU 79 CO 0.00 0.32 -0.02 0.00 -0.73 0.00 0.00 179.01 178.58 1l7b h ALA 80 N 1.66 -0.15 -0.98 2.92 0.00 -1.47 0.04 119.26 121.27 1l7b h ALA 80 Ca 0.60 -0.01 0.22 0.00 0.00 0.00 0.00 54.91 55.72 1l7b h ALA 80 Cb 1.33 0.03 -0.18 0.00 0.00 0.00 0.00 17.79 18.96 1l7b h ALA 80 CO -0.36 -0.15 -0.17 -2.13 0.00 0.00 0.00 179.25 176.44 1l7b n ARG 81 N -3.02 -0.09 0.04 0.00 0.00 -0.69 0.52 116.66 113.43 1l7b n ARG 81 Ca -0.01 1.51 -0.13 0.00 -0.00 0.00 0.00 57.85 59.22 1l7b n ARG 81 Cb 0.03 -2.29 -0.09 0.00 0.00 0.00 0.00 32.46 30.11 1l7b n ARG 81 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1l7b h THR 82 N 0.00 1.14 0.00 5.15 2.02 -0.50 -3.47 112.91 117.25 1l7b h THR 82 Ca 0.50 -0.69 0.00 0.00 0.77 0.00 0.00 66.41 66.99 1l7b h THR 82 Cb 0.86 1.59 0.00 0.00 -1.74 0.00 0.00 68.15 68.86 1l7b h THR 82 CO -0.98 0.17 0.00 0.61 0.37 0.00 0.00 175.52 175.69 1l7b n GLY 83 N -0.28 0.80 3.35 2.16 0.00 0.19 -5.05 105.19 106.35 1l7b n GLY 83 Ca -0.08 -0.12 -0.10 0.00 0.00 0.00 0.00 46.02 45.73 1l7b n GLY 83 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1l7b s LYS 84 N -0.66 1.13 -0.70 1.61 2.20 -1.19 -5.02 119.74 117.10 1l7b s LYS 84 Ca 0.00 -0.98 -0.26 0.00 -0.36 0.00 0.00 55.97 54.37 1l7b s LYS 84 Cb 0.00 0.42 -0.08 0.00 -1.51 0.00 0.00 37.83 36.66 1l7b s LYS 84 CO 0.00 -0.43 2.21 0.15 -0.36 0.00 0.00 175.35 176.92 1l7b s LYS 85 N -3.90 2.12 0.38 4.03 1.02 -1.26 -4.70 119.74 117.44 1l7b s LYS 85 Ca 0.10 0.59 0.08 0.00 0.02 0.00 0.00 55.97 56.76 1l7b s LYS 85 Cb 0.02 -4.72 0.77 0.00 -0.52 0.00 0.00 37.83 33.38 1l7b s LYS 85 CO -0.05 -3.60 1.93 0.00 -0.92 0.00 0.00 175.35 172.71 1l7b h ALA 86 N 14.67 1.51 -0.03 5.17 0.00 -1.92 -2.84 119.26 135.83 1l7b h ALA 86 Ca -0.09 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1l7b h ALA 86 Cb 1.10 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1l7b h ALA 86 CO 1.13 0.35 0.00 0.93 0.00 0.00 0.00 179.25 181.66 1l7b h GLU 87 N 0.33 0.04 0.00 0.00 5.08 -1.99 -3.44 114.58 114.60 1l7b h GLU 87 Ca 0.07 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1l7b h GLU 87 Cb 0.29 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1l7b h GLU 87 CO 0.01 0.30 0.00 -1.91 -1.00 0.00 0.00 179.01 176.41 1l7b n GLU 88 N -4.93 0.00 -0.20 2.33 2.13 -1.08 -3.97 120.64 114.92 1l7b n GLU 88 Ca -0.07 0.00 0.16 0.00 0.66 0.00 0.00 57.16 57.91 1l7b n GLU 88 Cb 0.16 0.00 0.30 0.00 0.27 0.00 0.00 31.44 32.17 1l7b n GLU 88 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1l7b n LEU 89 N 0.00 0.12 -0.04 4.31 7.94 -1.26 0.72 117.00 128.80 1l7b n LEU 89 Ca 0.00 1.01 -0.10 0.00 -1.11 0.00 0.00 56.01 55.82 1l7b n LEU 89 Cb 0.00 -0.45 -0.03 0.00 0.53 0.00 0.00 43.42 43.46 1l7b n LEU 89 CO 0.00 -1.10 0.65 -0.37 -1.11 0.00 0.00 177.39 175.46 1l7b h VAL 90 N 0.00 0.28 -3.14 1.96 -1.51 -1.98 -3.41 116.25 108.45 1l7b h VAL 90 Ca 0.47 0.00 -0.21 0.00 -1.23 0.00 0.00 66.70 65.72 1l7b h VAL 90 Cb 1.17 0.28 -0.30 0.00 -2.13 0.00 0.00 31.29 30.31 1l7b h VAL 90 CO -0.50 0.00 -0.53 -0.83 -1.23 0.00 0.00 177.57 174.48 1l7b s GLY 91 N -2.72 -0.10 0.00 5.19 0.00 0.22 -5.22 107.32 104.69 1l7b s GLY 91 Ca -0.15 0.84 0.19 0.00 0.00 0.00 0.00 44.72 45.59 1l7b s GLY 91 CO 0.67 1.09 1.51 -1.14 0.00 0.00 0.00 173.10 175.23